[4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-2-pyridinyl]methanol

C22H27N3O — CID 134329793

IUPAC[4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-2-pyridinyl]methanol
SMILESCC(C)c1c(-c2ccnc(CO)c2)[nH]c2ccc(C3CCNCC3)cc12
InChIInChI=1S/C22H27N3O/c1-14(2)21-19-12-16(15-5-8-23-9-6-15)3-4-20(19)25-22(21)17-7-10-24-18(11-17)13-26/h3-4,7,10-12,14-15,23,25-26H,5-6,8-9,13H2,1-2H3
InChIKeyMKQLFJCHASSSAH-UHFFFAOYSA-N
MW349.48 g/mol
LogP4.31
Rot. Bonds4

About [4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-2-pyridinyl]methanol

[4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-2-pyridinyl]methanol (PubChem CID 134329793) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is [4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-2-pyridinyl]methanol
PubChem CID134329793
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name[4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-2-pyridinyl]methanol
SMILESCC(C)c1c(-c2ccnc(CO)c2)[nH]c2ccc(C3CCNCC3)cc12
InChIInChI=1S/C22H27N3O/c1-14(2)21-19-12-16(15-5-8-23-9-6-15)3-4-20(19)25-22(21)17-7-10-24-18(11-17)13-26/h3-4,7,10-12,14-15,23,25-26H,5-6,8-9,13H2,1-2H3
InChIKeyMKQLFJCHASSSAH-UHFFFAOYSA-N
XLogP4.31
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-2-pyridinyl]methanol with MolForge

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Related Compounds

Indole-3-Carbinol
CID 3712
Tryptophol
CID 10685
3-Hydroxymethyl-beta-carboline
CID 5353338
(3R,4S)-5,7-difluoro-6-(1H-indol-7-yl)-2,2,4-trimethyl-3,4-dihydro-1H-quinolin-3-ol
CID 51346823
(3R,4S)-6-(1H-indol-7-yl)-2,2,4,5,8-pentamethyl-3,4-dihydro-1H-quinolin-3-ol
CID 53322300
(3R,4S)-7-fluoro-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol
CID 53323657
US10660877, Example 31
CID 134329288
rac-5,7-difluoro-3-hydroxy-2,2-dimethyl-6-(3-methyl-1H-indol-7-yl)-2,3-dihydroquinolin-4(1H)-one O-ethyl oxime
CID 136000568
1-(1H-indol-3-yl)-2-(piperidin-1-yl)ethanol
CID 3599332
2-[2-(1H-indol-3-yl)ethylamino]-1-phenylethanol
CID 4035295
Cordysinin C/D
CID 10899924
(1H-indol-5-yl)methanol
CID 2773458

Frequently Asked Questions

What is the IUPAC name of [4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-2-pyridinyl]methanol?
The IUPAC name of [4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-2-pyridinyl]methanol (CID 134329793) is [4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-2-pyridinyl]methanol.
What is the SMILES notation for [4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-2-pyridinyl]methanol?
The canonical SMILES for [4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-2-pyridinyl]methanol is CC(C)c1c(-c2ccnc(CO)c2)[nH]c2ccc(C3CCNCC3)cc12.
What is the InChIKey of [4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-2-pyridinyl]methanol?
The InChIKey is MKQLFJCHASSSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-14(2)21-19-12-16(15-5-8-23-9-6-15)3-4-20(19)25-22(21)17-7-10-24-18(11-17)13-26/h3-4,7,10-12,14-15,23,25-26H,5-6,8-9,13H2,1-2H3.
What are the key properties of [4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-2-pyridinyl]methanol?
[4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-2-pyridinyl]methanol has a molecular weight of 349.48 g/mol, XLogP of 4.31, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-2-pyridinyl]methanol is sourced from PubChem (CID 134329793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).